UCSF

ZINC44117337

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 2.33 -8.4 1 5 0 51 295.379 5
Mid Mid (pH 6-8) 1.37 4.32 -44.23 2 5 1 52 296.387 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )